Products 2161394-95-0

CAS 2161394-95-0 appears in our catalog under these names: Canagliflozin Impurity 29, Canagliflozin 2-Methylphenyl. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 250mg.

Canagliflozin Impurity 29
Chemat Brand
  • size: on request
  • Variants: 1
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Canagliflozin 2-Methylphenyl
TRC
  • size: 250mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol (CAS 2161394-95-0) is a chemical compound with the molecular formula C24H25FO5S and a molecular weight of 444.5 g/mol. IUPAC name: (2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol. InChIKey: KJYXZWRTADGGMW-ZXGKGEBGSA-N.

Identity
Molecular formulaC24H25FO5S
Molecular weight444.5 g/mol
IUPAC name(2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
InChIKeyKJYXZWRTADGGMW-ZXGKGEBGSA-N
SMILESCC1=C(C=CC=C1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F

Computed by PubChem (NCBI)

Synonyms: Canagliflozin 2-Methylphenyl, Canagliflozin Impurity 29
Isomers (same molecular formula)
(2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol C24H25FO5S
(2R,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol C24H25FO5S
(2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol C24H25FO5S
2-(1,2-dihydroxyethyl)-5-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxolane-3,4-diol C24H25FO5S
(2S,3R,4R,5S,6R)-2-[3-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol C24H25FO5S